N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide

C16H17ClN2O2 — CID 65124536

IUPACN-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide
SMILESNc1ccccc1NC(=O)CCOCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c17-13-7-5-12(6-8-13)11-21-10-9-16(20)19-15-4-2-1-3-14(15)18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyWJUYZUNNJIDYAH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.47
Rot. Bonds6

About N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide

N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide (PubChem CID 65124536) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide
PubChem CID65124536
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide
SMILESNc1ccccc1NC(=O)CCOCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c17-13-7-5-12(6-8-13)11-21-10-9-16(20)19-15-4-2-1-3-14(15)18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyWJUYZUNNJIDYAH-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-methylphenyl)-2-[(4-chlorophenyl)methoxy]acetamide
CID 65124387
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
CID 16784272
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
CID 63268657
N-(2-aminophenyl)-3-(4-chloro-3-fluorophenoxy)propanamide
CID 82717901
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045267
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide (CID 65124536) is N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide is Nc1ccccc1NC(=O)CCOCc1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide?
The InChIKey is WJUYZUNNJIDYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-13-7-5-12(6-8-13)11-21-10-9-16(20)19-15-4-2-1-3-14(15)18/h1-8H,9-11,18H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide?
N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide is sourced from PubChem (CID 65124536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).